[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate

C14H13N3O5 — CID 2100887

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N3O5/c1-8-4-2-3-5-10(8)16-11(18)7-22-13(20)9-6-15-14(21)17-12(9)19/h2-6H,7H2,1H3,(H,16,18)(H2,15,17,19,21)
InChIKeyUTZJTQPYMFGACL-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.17
Rot. Bonds4

About [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 2100887) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID2100887
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N3O5/c1-8-4-2-3-5-10(8)16-11(18)7-22-13(20)9-6-15-14(21)17-12(9)19/h2-6H,7H2,1H3,(H,16,18)(H2,15,17,19,21)
InChIKeyUTZJTQPYMFGACL-UHFFFAOYSA-N
XLogP0.17
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2447912
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100885
2,4-dioxo-1H-pyrimidine-5-carboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester
CID 2100932
[2-(3-nitroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100965
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2447905
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2439157
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100676
[2-(benzylamino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100692
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2346545
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100889
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2352994
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2436969

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 2100887) is [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is UTZJTQPYMFGACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-8-4-2-3-5-10(8)16-11(18)7-22-13(20)9-6-15-14(21)17-12(9)19/h2-6H,7H2,1H3,(H,16,18)(H2,15,17,19,21).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2100887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).